5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide

C22H25N5O2 — CID 137049053

IUPAC5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)NCC3(c4ccccc4)CCCC3)c2C)n1
InChIInChI=1S/C22H25N5O2/c1-15-12-19(28)26-21(25-15)27-16(2)18(13-24-27)20(29)23-14-22(10-6-7-11-22)17-8-4-3-5-9-17/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3,(H,23,29)(H,25,26,28)
InChIKeyUCTGBLXOINLUAT-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.81
Rot. Bonds5

About 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide

5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide (PubChem CID 137049053) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide
PubChem CID137049053
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)NCC3(c4ccccc4)CCCC3)c2C)n1
InChIInChI=1S/C22H25N5O2/c1-15-12-19(28)26-21(25-15)27-16(2)18(13-24-27)20(29)23-14-22(10-6-7-11-22)17-8-4-3-5-9-17/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3,(H,23,29)(H,25,26,28)
InChIKeyUCTGBLXOINLUAT-UHFFFAOYSA-N
XLogP2.81
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

4-Hydroxy-N-(1-methyl-1-phenylethyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide
CID 44230798
6-oxo-N-[(4-phenylphenyl)methyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231439
N-benzhydryl-4-hydroxy-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide
CID 44231442
6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231560
6-oxo-N-[(1R)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231673
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231792
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231793
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
N-(4-fluorobenzyl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081191
N-2,4-difluorophenyl-5-methyl-1-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-4-pyrazolecarboxamide
CID 137010044
1-[1-(4-Oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 137049300
2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide
CID 162674655

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide (CID 137049053) is 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide is Cc1cc(=O)[nH]c(-n2ncc(C(=O)NCC3(c4ccccc4)CCCC3)c2C)n1.
What is the InChIKey of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide?
The InChIKey is UCTGBLXOINLUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-12-19(28)26-21(25-15)27-16(2)18(13-24-27)20(29)23-14-22(10-6-7-11-22)17-8-4-3-5-9-17/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3,(H,23,29)(H,25,26,28).
What are the key properties of 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide?
5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 137049053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).